4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H25N7S+2 MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=NC=C5

InChI

InChI=1S/C20H23N7S/c28-20-26(15-24-11-13-25(14-12-24)18-3-1-2-8-22-18)23-19(27(20)17-4-5-17)16-6-9-21-10-7-16/h1-3,6-10,17H,4-5,11-15H2/p+2